[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol

C16H17Br2NO2 — CID 107230240

IUPAC[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol
SMILESCOc1c(Br)cc(Br)cc1CNCc1ccc(CO)cc1
InChIInChI=1S/C16H17Br2NO2/c1-21-16-13(6-14(17)7-15(16)18)9-19-8-11-2-4-12(10-20)5-3-11/h2-7,19-20H,8-10H2,1H3
InChIKeyVNSPIDRMVWSNKZ-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.00
Rot. Bonds6

About [4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol

[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol (PubChem CID 107230240) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is [4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol
PubChem CID107230240
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol
SMILESCOc1c(Br)cc(Br)cc1CNCc1ccc(CO)cc1
InChIInChI=1S/C16H17Br2NO2/c1-21-16-13(6-14(17)7-15(16)18)9-19-8-11-2-4-12(10-20)5-3-11/h2-7,19-20H,8-10H2,1H3
InChIKeyVNSPIDRMVWSNKZ-UHFFFAOYSA-N
XLogP4.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol with MolForge

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Related Compounds

2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 78902255
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol
CID 66176532
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 43221034
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 63452417
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29227843
1-(4-bromothiophen-2-yl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 47271899
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine
CID 115405637
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850641
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol
CID 115603288
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
ethyl 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]acetate
CID 60811348

Frequently Asked Questions

What is the IUPAC name of [4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol (CID 107230240) is [4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol is COc1c(Br)cc(Br)cc1CNCc1ccc(CO)cc1.
What is the InChIKey of [4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol?
The InChIKey is VNSPIDRMVWSNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-21-16-13(6-14(17)7-15(16)18)9-19-8-11-2-4-12(10-20)5-3-11/h2-7,19-20H,8-10H2,1H3.
What are the key properties of [4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol?
[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol has a molecular weight of 415.13 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).